5'-[(3-methylbenzene-1-sulfonyl)amino]-4-(2-methylphenyl)-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5'-[(3-methylbenzene-1-sulfonyl)amino]-4-(2-methylphenyl)-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid--trifluoroacetic acid (1/1)
5'-[(3-methylbenzene-1-sulfonyl)amino]-4-(2-methylphenyl)-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0954 |
| Compound Name: | 5'-[(3-methylbenzene-1-sulfonyl)amino]-4-(2-methylphenyl)-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 577.58 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(C(O)=O)c(nc1)N1CCC(=CC1)c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2865 |
| logD: | 3.9557 |
| logSw: | -4.9243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.548 |
| InChI Key: | UMSHRMFATLSAFE-UHFFFAOYSA-N |